7-[pyridin-1-ium-4-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol

Systemtic Name: 7-[pyridin-1-ium-4-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Openeye Name: 7-[pyridin-1-ium-4-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol CAS Name: 7-[4-pyridin-1-iumyl-(2-pyridin-1-iumylamino)methyl]-8-quinolin-1-iumol IUPAC Name: 7-[pyridin-1-ium-4-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Traditional Name: 7-[pyridin-1-ium-4-yl-(pyridin-1-ium-2-ylamino)methyl]quinolin-1-ium-8-ol Formula: C20H19N4O+3 MolecularWeight: 331.39106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NC(C2=CC=[NH+]C=C2)C3=C(C4=C(C=CC=[NH+]4)C=C3)O

Isomeric SMILES

C1=CC=[NH+]C(=C1)NC(C2=CC=[NH+]C=C2)C3=C(C4=C(C=CC=[NH+]4)C=C3)O

InChI

InChI=1S/C20H16N4O/c25-20-16(7-6-14-4-3-11-23-19(14)20)18(15-8-12-21-13-9-15)24-17-5-1-2-10-22-17/h1-13,18,25H,(H,22,24)/p+3